(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide

C15H21N3O2 — CID 798427

IUPAC(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1
InChIInChI=1S/C15H21N3O2/c1-5-18(6-2)14-8-7-13(20-14)9-12(10-16)15(19)17-11(3)4/h7-9,11H,5-6H2,1-4H3,(H,17,19)/b12-9-
InChIKeyJSMPOXBCHJLHNB-XFXZXTDPSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds6

About (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide (PubChem CID 798427) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
PubChem CID798427
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
SMILESCCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1
InChIInChI=1S/C15H21N3O2/c1-5-18(6-2)14-8-7-13(20-14)9-12(10-16)15(19)17-11(3)4/h7-9,11H,5-6H2,1-4H3,(H,17,19)/b12-9-
InChIKeyJSMPOXBCHJLHNB-XFXZXTDPSA-N
XLogP2.56
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide (CID 798427) is (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide is CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1.
What is the InChIKey of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The InChIKey is JSMPOXBCHJLHNB-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-18(6-2)14-8-7-13(20-14)9-12(10-16)15(19)17-11(3)4/h7-9,11H,5-6H2,1-4H3,(H,17,19)/b12-9-.
What are the key properties of (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(diethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).